Butyl acetate

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational470.54kJ mol-1
Total (Trans. + Rot. + Vib.)480.46kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational119.82J mol-1 K-1
Total (Trans. + Rot. + Vib.)153.08J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.04J mol-1 K-1
Rotational121.19J mol-1 K-1
Vibrational133.05J mol-1 K-1
Total (Trans. + Rot. + Vib.)422.28J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-457.75kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 46.48 cm-1 View
  • 2 64.90 cm-1 View
  • 3 76.04 cm-1 View
  • 4 105.36 cm-1 View
  • 5 116.76 cm-1 View
  • 6 142.86 cm-1 View
  • 7 195.69 cm-1 View
  • 8 263.77 cm-1 View
  • 9 312.51 cm-1 View
  • 10 438.34 cm-1 View
  • 11 481.74 cm-1 View
  • 12 564.89 cm-1 View
  • 13 621.85 cm-1 View
  • 14 768.90 cm-1 View
  • 15 840.79 cm-1 View
  • 16 945.39 cm-1 View
  • 17 945.96 cm-1 View
  • 18 969.26 cm-1 View
  • 19 1001.71 cm-1 View
  • 20 1010.89 cm-1 View
  • 21 1048.20 cm-1 View
  • 22 1094.98 cm-1 View
  • 23 1123.05 cm-1 View
  • 24 1134.06 cm-1 View
  • 25 1141.57 cm-1 View
  • 26 1149.48 cm-1 View
  • 27 1157.82 cm-1 View
  • 28 1159.75 cm-1 View
  • 29 1233.91 cm-1 View
  • 30 1321.41 cm-1 View
  • 31 1341.53 cm-1 View
  • 32 1364.55 cm-1 View
  • 33 1380.84 cm-1 View
  • 34 1383.99 cm-1 View
  • 35 1388.17 cm-1 View
  • 36 1401.96 cm-1 View
  • 37 1408.30 cm-1 View
  • 38 1410.35 cm-1 View
  • 39 1411.39 cm-1 View
  • 40 1419.17 cm-1 View
  • 41 1433.52 cm-1 View
  • 42 1973.46 cm-1 View
  • 43 2933.06 cm-1 View
  • 44 2949.41 cm-1 View
  • 45 2962.79 cm-1 View
  • 46 2987.52 cm-1 View
  • 47 3032.85 cm-1 View
  • 48 3038.34 cm-1 View
  • 49 3079.70 cm-1 View
  • 50 3084.69 cm-1 View
  • 51 3086.15 cm-1 View
  • 52 3091.18 cm-1 View
  • 53 3177.56 cm-1 View
  • 54 3182.87 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy3.33kJ mol-1
Polar Solvation Energy-16.93kJ mol-1
Nonpolar Solvation Energy20.23kJ mol-1
Surface Area127.37Å2
Charge of Molecule0
Dipole2.38Debye